ethyl 2-[11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[11-(1,3-dioxoisoindolin-2-yl)undecanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[11-(1,3-dioxo-2-isoindolyl)-1-oxoundecyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[11-(1,3-dioxoisoindol-2-yl)undecanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-(11-phthalimidoundecanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C32H36N2O5S MolecularWeight: 560.70364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C32H36N2O5S/c1-2-39-32(38)28-26(23-16-10-9-11-17-23)22-40-29(28)33-27(35)20-12-7-5-3-4-6-8-15-21-34-30(36)24-18-13-14-19-25(24)31(34)37/h9-11,13-14,16-19,22H,2-8,12,15,20-21H2,1H3,(H,33,35)